ethane;1-[6-(4-phosphanylphenoxy)-3-pyridinyl]ethanone

C15H18NO2P — CID 143530827

IUPACethane;1-[6-(4-phosphanylphenoxy)-3-pyridinyl]ethanone
SMILESCC.CC(=O)c1ccc(Oc2ccc(P)cc2)nc1
InChIInChI=1S/C13H12NO2P.C2H6/c1-9(15)10-2-7-13(14-8-10)16-11-3-5-12(17)6-4-11;1-2/h2-8H,17H2,1H3;1-2H3
InChIKeyRLZIDOSZYIXJAT-UHFFFAOYSA-N
MW275.29 g/mol
LogP3.60
Rot. Bonds3

About ethane;1-[6-(4-phosphanylphenoxy)-3-pyridinyl]ethanone

ethane;1-[6-(4-phosphanylphenoxy)-3-pyridinyl]ethanone (PubChem CID 143530827) has the molecular formula C15H18NO2P and a molecular weight of 275.29 g/mol. Its IUPAC name is ethane;1-[6-(4-phosphanylphenoxy)-3-pyridinyl]ethanone.

Molecular Properties

Compound Nameethane;1-[6-(4-phosphanylphenoxy)-3-pyridinyl]ethanone
PubChem CID143530827
Molecular FormulaC15H18NO2P
Molecular Weight275.29 g/mol
Exact Mass275.11
IUPAC Nameethane;1-[6-(4-phosphanylphenoxy)-3-pyridinyl]ethanone
SMILESCC.CC(=O)c1ccc(Oc2ccc(P)cc2)nc1
InChIInChI=1S/C13H12NO2P.C2H6/c1-9(15)10-2-7-13(14-8-10)16-11-3-5-12(17)6-4-11;1-2/h2-8H,17H2,1H3;1-2H3
InChIKeyRLZIDOSZYIXJAT-UHFFFAOYSA-N
XLogP3.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(6-phenoxy-3-pyridinyl)ethanone
CID 91184231
1-(6-chloro-3-pyridinyl)ethanone;1-(6-phenoxy-3-pyridinyl)ethanone
CID 161154288
1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone
CID 18673928
ethane;1-(6-methoxy-3-pyridinyl)ethanone
CID 142833845
1-[6-(2,3-dihydro-1H-isoindol-5-yloxy)-3-pyridinyl]ethanone
CID 142876508
1-(6-pyridin-2-yloxy-3-pyridinyl)ethanone
CID 58109878
1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone
CID 113443679
methyl 6-(4-methylphenoxy)pyridine-3-carboxylate
CID 123190451
1-[6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanone
CID 116801606
6-(4-hydroxyphenoxy)pyridine-3-carboxamide
CID 60868756
6-[4-(2-oxopropyl)phenoxy]pyridine-3-carboxamide
CID 22087205
(4-acetylphenyl) 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
CID 27873697

Frequently Asked Questions

What is the IUPAC name of ethane;1-[6-(4-phosphanylphenoxy)-3-pyridinyl]ethanone?
The IUPAC name of ethane;1-[6-(4-phosphanylphenoxy)-3-pyridinyl]ethanone (CID 143530827) is ethane;1-[6-(4-phosphanylphenoxy)-3-pyridinyl]ethanone.
What is the SMILES notation for ethane;1-[6-(4-phosphanylphenoxy)-3-pyridinyl]ethanone?
The canonical SMILES for ethane;1-[6-(4-phosphanylphenoxy)-3-pyridinyl]ethanone is CC.CC(=O)c1ccc(Oc2ccc(P)cc2)nc1.
What is the InChIKey of ethane;1-[6-(4-phosphanylphenoxy)-3-pyridinyl]ethanone?
The InChIKey is RLZIDOSZYIXJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12NO2P.C2H6/c1-9(15)10-2-7-13(14-8-10)16-11-3-5-12(17)6-4-11;1-2/h2-8H,17H2,1H3;1-2H3.
What are the key properties of ethane;1-[6-(4-phosphanylphenoxy)-3-pyridinyl]ethanone?
ethane;1-[6-(4-phosphanylphenoxy)-3-pyridinyl]ethanone has a molecular weight of 275.29 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[6-(4-phosphanylphenoxy)-3-pyridinyl]ethanone is sourced from PubChem (CID 143530827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).